| SpectraBase Spectrum ID |
2Cezxqdi3MJ |
| Name |
Pyridoxine 3AC |
| CAS Registry Number |
10030-93-0 |
| Classification |
Vitamin B6 derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
295.105587265 u |
| Formula |
C14H17NO6 |
| InChI |
InChI=1S/C14H17NO6/c1-8-14(21-11(4)18)13(7-20-10(3)17)12(5-15-8)6-19-9(2)16/h5H,6-7H2,1-4H3 |
| InChIKey |
MGWNIMJWRDHXTM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
295.291 g/mol |
| Nominal Mass |
295 u |
| Quality |
982 |
| Retention Index |
1887 |
| SMILES |
C1(=C(C(=NC=C1COC(=O)C)C)OC(=O)C)COC(=O)C |
| SPLASH |
splash10-0f6x-7910000000-945fe31926de4feaa2e2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Vitamin B6 triacetate
(3-(acetyloxy)-5-((acetyloxy)methyl)-2-methylpyridin-4-yl)methyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003814 |
